SCHEMBL5583162

SCHEMBL5583162

c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 20/20 1.00
RIPK1 Q13546 18/20 1.00
KDM4E B2RXH2 3/20 1.00
MEN1 O00255 3/20 1.00
ALDH1A1 P00352 3/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 3/20 1.00
KMT2A Q03164 3/20 1.00
HSD17B10 Q99714 3/20 1.00
TSHR P16473 2/20 1.00
RAB9A P51151 2/20 1.00
AURKA O14965 1/20 1.00
HPGD P15428 1/20 1.00
PTK2B Q14289 1/20 1.00
KDR P35968 1/20 0.83
MAPK1 P28482 2/20 0.68
USP2 O75604 1/20 0.68
HSP90AA1 P07900 1/20 0.68
ALOX15 P16050 1/20 0.68
GFER P55789 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30489859 1.00 MAPK10 (1.00) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL5583269 0.91 MAPK10 (1.00) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL14366532 0.91 MAPK10 (0.94) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL5582980 0.81 MAPK10 (1.00) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL6071118 0.81 MAPK10 (0.71) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL5583258 0.81 MAPK10 (0.71) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL6071355 0.81 MAPK10 (0.71) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL5583140 0.81 MAPK10 (1.00) MAPK10RIPK1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6071243 0.80 MAPK10 (0.70) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL6071545 0.78 MAPK10 (0.71) MAPK10RIPK1KDM4EMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US claimed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 US disclosed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 US disclosed
US-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-06 US disclosed
US-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-06 US disclosed
WO-2012125544-A2 NECROPTOSIS INHIBITORS AND METHODS OF USE THEREFOR PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-20 WO disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 MAPK10 387/4885RIPK1 131/4885KDM4E 1799/4885
US-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor CD40, CD40LG, TNF MAPK10 391/4885RIPK1 26/4885KDM4E 2829/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 MAPK10 1222/4885RIPK1 702/4885KDM4E 1419/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.